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EGT

Summary
Name:2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL
Synonyms:EPIGALLOCATECHIN
Formula:C15 H14 O7
Formal charge:0
Formula weight:306.267 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
OpenEye OEToolkits1.5.0(2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O
SMILES_CANONICALCACTVS3.341O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
SMILESCACTVS3.341O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3cc(O)c(O)c(O)c3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)O
InChIInChI1.03InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
InChIKeyInChI1.03XMOCLSLCDHWDHP-IUODEOHRSA-N

218853

PDB entries from 2024-04-24

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